Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-29 |
Detector | ADSC CCD |
Spacegroup name | H 3 2 |
Unit cell lengths | 224.091, 224.091, 337.157 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 169.031 - 2.800 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x0x |
RMSD bond length | 0.010 |
RMSD bond angle | 1.327 |
Data reduction software | MOSFLM |
Data scaling software | TRUNCATE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.270 | 2.820 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.140 | 0.640 |
Number of reflections | 79929 | |
<I/σ(I)> | 16.17 | 3.35 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.71 | 8.41 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | LITHIUM SULPHATE 1.5M, SODIUM CHLORIDE BUFFER PH 6. |